Receptor
PDB id Resolution Class Description Source Keywords
5BU2 2.11 Å NON-ENZYME: OTHER STRUCTURE OF THE C-TERMINAL DOMAIN OF LPG1496 FROM LEGIONELL PNEUMOPHILA IN COMPLEX WITH NUCLEOTIDE LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH43290 BACTERIAL EFFECTOR NUCLEOTIDE-BINDING COMPLEX STRUCTURAL MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS INITIATIVEUNKNOWN FUNCTION
Ref.: STRUCTURE OF THE LEGIONELLA EFFECTOR, LPG1496, SUGG ROLE IN NUCLEOTIDE METABOLISM. J.BIOL.CHEM. V. 290 24727 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:702;
A:701;
B:702;
C:701;
Invalid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
AMP B:701;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
RIB D:701;
Valid;
none;
submit data
150.13 C5 H10 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5BU2 2.11 Å NON-ENZYME: OTHER STRUCTURE OF THE C-TERMINAL DOMAIN OF LPG1496 FROM LEGIONELL PNEUMOPHILA IN COMPLEX WITH NUCLEOTIDE LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH43290 BACTERIAL EFFECTOR NUCLEOTIDE-BINDING COMPLEX STRUCTURAL MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS INITIATIVEUNKNOWN FUNCTION
Ref.: STRUCTURE OF THE LEGIONELLA EFFECTOR, LPG1496, SUGG ROLE IN NUCLEOTIDE METABOLISM. J.BIOL.CHEM. V. 290 24727 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 5BU2 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 5BU2 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 5BU2 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 486
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AT4 0.84507 0.958904
11 AN2 0.84507 0.985915
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 AMP 0.823529 0.971429
15 A 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 AR6 0.810811 0.971831
19 APR 0.810811 0.971831
20 ANP 0.802632 0.972222
21 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 SAP 0.8 0.945946
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 T99 0.779221 0.958904
27 TAT 0.779221 0.958904
28 KG4 0.773333 0.945205
29 50T 0.773333 0.958333
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP MG 0.746667 0.943662
38 A12 0.743243 0.958904
39 AP2 0.743243 0.958904
40 SRA 0.736111 0.918919
41 ADQ 0.73494 0.945205
42 25L 0.732558 0.985915
43 8LE 0.725 0.894737
44 5AL 0.725 0.931507
45 2A5 0.717949 0.918919
46 AU1 0.714286 0.972222
47 A1R 0.714286 0.907895
48 A3R 0.714286 0.907895
49 APC MG 0.708861 0.917808
50 ATR 0.708861 0.971429
51 PAP 0.708861 0.985714
52 ATP MG 0.708861 0.943662
53 ADP PO3 0.708861 0.943662
54 8LH 0.707317 0.906667
55 SRP 0.707317 0.906667
56 7D3 0.706667 0.905405
57 25A 0.702381 0.971831
58 OZV 0.702381 0.971831
59 OAD 0.697674 0.945205
60 9X8 0.697674 0.92
61 8LQ 0.690476 0.906667
62 RBY 0.6875 0.932432
63 ADV 0.6875 0.932432
64 00A 0.686047 0.883117
65 5SV 0.682353 0.848101
66 OOB 0.682353 0.931507
67 8QN 0.682353 0.931507
68 BIS 0.681818 0.933333
69 3OD 0.681818 0.945205
70 ALF ADP 0.674699 0.87013
71 ADP ALF 0.674699 0.87013
72 AMO 0.674419 0.932432
73 PAJ 0.674419 0.884615
74 4AD 0.674419 0.92
75 GAP 0.670732 0.893333
76 MAP 0.670588 0.945946
77 AHX 0.666667 0.896104
78 VO4 ADP 0.666667 0.931507
79 ADP VO4 0.666667 0.931507
80 DLL 0.666667 0.931507
81 PTJ 0.662921 0.896104
82 3UK 0.659091 0.918919
83 SON 0.658228 0.932432
84 LMS 0.653333 0.82716
85 PR8 0.651685 0.85
86 LAD 0.651685 0.860759
87 B5V 0.651685 0.906667
88 WAQ 0.651685 0.883117
89 7D4 0.65 0.905405
90 ITT 0.65 0.943662
91 G5P 0.648936 0.921053
92 XYA 0.647059 0.84507
93 ADN 0.647059 0.84507
94 RAB 0.647059 0.84507
95 1ZZ 0.644444 0.839506
96 ME8 0.644444 0.839506
97 FYA 0.644444 0.905405
98 TXA 0.644444 0.932432
99 NB8 0.644444 0.896104
100 6AD 0.642857 0.909091
101 ADP BMA 0.640449 0.918919
102 G3A 0.638298 0.921053
103 DAL AMP 0.632184 0.905405
104 AFH 0.631579 0.884615
105 9SN 0.630435 0.871795
106 GTA 0.625 0.886076
107 9ZA 0.625 0.907895
108 DQV 0.625 0.958333
109 9ZD 0.625 0.907895
110 FA5 0.623656 0.906667
111 B5M 0.623656 0.894737
112 YAP 0.623656 0.894737
113 B5Y 0.623656 0.894737
114 UP5 0.622449 0.92
115 NO7 0.62069 0.932432
116 JSQ 0.619048 0.945946
117 HFD 0.619048 0.945946
118 XAH 0.617021 0.839506
119 AV2 0.616279 0.917808
120 AOC 0.615385 0.821918
121 48N 0.612245 0.896104
122 4UV 0.610526 0.894737
123 TXD 0.606061 0.907895
124 DND 0.606061 0.932432
125 NAX 0.606061 0.873418
126 6V0 0.606061 0.896104
127 NXX 0.606061 0.932432
128 NAI 0.606061 0.907895
129 5N5 0.605634 0.819444
130 5AS 0.604938 0.77907
131 A4P 0.60396 0.843373
132 DAT 0.60241 0.905405
133 A2R 0.602273 0.985915
134 OMR 0.6 0.851852
135 TXE 0.6 0.907895
136 GA7 0.597938 0.906667
137 4UU 0.597938 0.894737
138 A A 0.597826 0.944444
139 A4D 0.597222 0.819444
140 5CD 0.597222 0.805556
141 4TC 0.594059 0.896104
142 AP0 0.594059 0.896104
143 A3P 0.592593 0.971429
144 T5A 0.592233 0.841463
145 139 0.592233 0.873418
146 7D5 0.592105 0.878378
147 ATP A 0.589474 0.930556
148 ATP A A A 0.589474 0.930556
149 LAQ 0.585859 0.839506
150 MYR AMP 0.585106 0.817073
151 H1Q 0.583333 0.90411
152 F2R 0.580952 0.864198
153 YLP 0.58 0.819277
154 UPA 0.578431 0.907895
155 7DD 0.578313 0.985714
156 3AM 0.576923 0.929577
157 ADJ 0.576923 0.851852
158 NAD 0.575472 0.931507
159 COD 0.575472 0.811765
160 3AT 0.574713 0.971831
161 JB6 0.574468 0.883117
162 4UW 0.574257 0.860759
163 EP4 0.573333 0.753247
164 A2P 0.573171 0.957143
165 CNA 0.571429 0.932432
166 TYM 0.568627 0.906667
167 PPS 0.568182 0.873418
168 M2T 0.565789 0.734177
169 DTA 0.565789 0.786667
170 AR6 AR6 0.565657 0.917808
171 80F 0.564815 0.841463
172 A3D 0.564815 0.918919
173 3DH 0.564103 0.773333
174 G5A 0.563218 0.77907
175 YLB 0.563107 0.819277
176 YLC 0.563107 0.839506
177 AMP DBH 0.561224 0.893333
178 TYR AMP 0.561224 0.87013
179 MTA 0.558442 0.773333
180 DTP 0.556818 0.905405
181 AHZ 0.554455 0.817073
182 NA7 0.553191 0.958904
183 IOT 0.552381 0.831325
184 7MD 0.55 0.8625
185 ARG AMP 0.55 0.829268
186 ZAS 0.55 0.766234
187 IMO 0.548781 0.929577
188 YLA 0.54717 0.819277
189 NAE 0.544643 0.894737
190 TAD 0.544554 0.884615
191 A5A 0.544444 0.807229
192 2AM 0.544304 0.943662
193 TSB 0.543478 0.819277
194 6RE 0.54321 0.759494
195 6MZ 0.542169 0.930556
196 AYB 0.542056 0.809524
197 NAQ 0.539823 0.871795
198 V3L 0.539326 0.971831
199 SSA 0.538462 0.8
200 AF3 ADP 3PG 0.538462 0.8375
201 ZID 0.535088 0.918919
202 LPA AMP 0.533981 0.817073
203 VMS 0.532609 0.788235
204 52H 0.532609 0.77907
205 54H 0.532609 0.788235
206 BTX 0.53211 0.841463
207 A3N 0.53012 0.786667
208 J7C 0.53012 0.769231
209 5X8 0.528736 0.763158
210 BT5 0.527273 0.831325
211 8X1 0.526882 0.752809
212 53H 0.526882 0.77907
213 5CA 0.526882 0.8
214 ARU 0.526316 0.860759
215 EAD 0.525862 0.873418
216 RGT 0.525253 0.958904
217 OVE 0.52439 0.905405
218 S4M 0.52381 0.666667
219 7DT 0.522727 0.985714
220 DDS 0.522222 0.878378
221 GDP 0.522222 0.92
222 AVV 0.521277 0.896104
223 NDE 0.521008 0.932432
224 7MC 0.518868 0.841463
225 DSH 0.518072 0.725
226 MAO 0.517647 0.759036
227 DSZ 0.515789 0.8
228 LSS 0.515789 0.761364
229 NSS 0.515789 0.8
230 P5A 0.515464 0.744444
231 DZD 0.513514 0.884615
232 NVA LMS 0.510417 0.752809
233 9K8 0.510204 0.714286
234 12D 0.509615 0.785714
235 M24 0.508772 0.85
236 YLY 0.508772 0.809524
237 P1H 0.508333 0.851852
238 5AD 0.506849 0.746479
239 GJV 0.505882 0.75
240 LEU LMS 0.505155 0.752809
241 AMP NAD 0.504505 0.905405
242 G A A A 0.504505 0.871795
243 4TA 0.504505 0.807229
244 NAJ PZO 0.504425 0.848101
245 GSU 0.5 0.77907
246 128 0.5 0.776471
247 KAA 0.5 0.752809
248 A3G 0.5 0.8
249 NDC 0.5 0.871795
250 7D7 0.5 0.743243
251 71V 0.5 0.907895
252 N0B 0.495726 0.819277
253 NJP 0.495495 0.945946
254 ODP 0.495495 0.909091
255 2SA 0.494624 0.932432
256 6C6 0.494505 0.881579
257 SFG 0.494382 0.75
258 0WD 0.491071 0.921053
259 B1U 0.490196 0.736264
260 YSA 0.490196 0.77907
261 LQJ 0.490196 0.917808
262 PO4 PO4 A A A A PO4 0.489796 0.902778
263 SAM 0.48913 0.690476
264 6IA 0.48913 0.8375
265 A7D 0.488636 0.776316
266 6FA 0.488 0.841463
267 FB0 0.487805 0.804598
268 NAJ PYZ 0.487179 0.807229
269 J4G 0.484848 0.92
270 IDP 0.483516 0.918919
271 A5D 0.483516 0.786667
272 SA8 0.483516 0.707317
273 PGS 0.483146 0.883117
274 MHZ 0.483146 0.697674
275 NEC 0.482353 0.746667
276 DA 0.482353 0.878378
277 D5M 0.482353 0.878378
278 NIA 0.481928 0.822785
279 Y3J 0.480519 0.726027
280 8PZ 0.480392 0.8
281 FAS 0.480315 0.851852
282 FAD 0.480315 0.851852
283 FDA 0.48 0.833333
284 N6P 0.479592 0.915493
285 GGZ 0.479167 0.825
286 SAI 0.478261 0.734177
287 U A 0.478261 0.907895
288 SAH 0.478261 0.74359
289 A G 0.477876 0.883117
290 NPW 0.477477 0.886076
291 NDP 0.477477 0.921053
292 AAM 0.476744 0.971429
293 AMZ 0.47561 0.916667
294 C2R 0.47561 0.90411
295 A A A 0.474747 0.905405
296 U A G G 0.473684 0.883117
297 SMM 0.473684 0.686047
298 GTP 0.473684 0.92
299 NZQ 0.473214 0.909091
300 TXP 0.473214 0.921053
301 A3S 0.47191 0.810811
302 SFD 0.46875 0.734043
303 AIR 0.468354 0.901408
304 EEM 0.468085 0.690476
305 AAT 0.468085 0.707317
306 7C5 0.466667 0.818182
307 J7V 0.466667 0.833333
308 Z5A 0.466667 0.77907
309 62F 0.465649 0.8625
310 N5O 0.465116 0.763158
311 HDV 0.463158 0.893333
312 KOY 0.462963 0.802632
313 FAY 0.462121 0.8625
314 ETB 0.461538 0.833333
315 A3T 0.461538 0.821918
316 DCA 0.461538 0.823529
317 A6D 0.46 0.722892
318 A U 0.459459 0.87013
319 6K6 0.459184 0.930556
320 GEK 0.459184 0.7375
321 RFL 0.458647 0.821429
322 S7M 0.458333 0.690476
323 NAP 0.458333 0.945205
324 4YB 0.457944 0.761364
325 N5A 0.454545 0.736842
326 WSA 0.454545 0.788235
327 TAP 0.454545 0.907895
328 FNK 0.454545 0.804598
329 0T1 0.453782 0.823529
330 COA 0.453782 0.823529
331 101 0.453488 0.878378
332 XNP 0.452174 0.873418
333 NA0 0.45082 0.932432
334 7RP 0.448276 0.928571
335 GP3 0.446809 0.921053
336 TM1 0.446602 0.77381
337 APU 0.446429 0.894737
338 PUA 0.445378 0.884615
339 V1N 0.443396 0.917808
340 7RA 0.443182 0.957747
341 COS 0.442623 0.804598
342 30N 0.442623 0.752688
343 CAO 0.442623 0.795455
344 AMX 0.442623 0.833333
345 QQY 0.44186 0.815789
346 ACK 0.44186 0.861111
347 649 0.441441 0.744444
348 0UM 0.44 0.698795
349 NHD 0.439655 0.905405
350 SCO 0.439024 0.823529
351 CMX 0.439024 0.823529
352 GCP 0.438776 0.896104
353 8BR 0.438202 0.906667
354 8Q2 0.4375 0.772727
355 GNH 0.4375 0.907895
356 3AD 0.4375 0.805556
357 NVA 2AD 0.43617 0.759494
358 62X 0.435644 0.666667
359 FCX 0.435484 0.795455
360 ACO 0.435484 0.795455
361 FAM 0.435484 0.804598
362 9JJ 0.434783 0.8625
363 9GM 0.434343 0.896104
364 GNP 0.434343 0.896104
365 NMX 0.433071 0.76087
366 MGP 0.43299 0.884615
367 26A 0.432099 0.763158
368 HAX 0.432 0.804598
369 K15 0.431373 0.682353
370 9BG 0.431034 0.896104
371 1DG 0.430894 0.921053
372 DG1 0.430894 0.921053
373 QQX 0.430233 0.805195
374 2VA 0.430108 0.8
375 S8M 0.43 0.759494
376 2MC 0.429688 0.769231
377 6G0 0.428571 0.884615
378 3KK 0.428571 0.804598
379 FYN 0.428571 0.823529
380 A C A C 0.428571 0.848101
381 P5F 0.428571 0.823529
382 KGA 0.427481 0.744681
383 7L1 0.427419 0.795455
384 FAI 0.426966 0.916667
385 AS 0.426966 0.833333
386 RMB 0.426966 0.873239
387 KGJ 0.426357 0.752688
388 1RB 0.425287 0.885714
389 KGP 0.425197 0.729167
390 OXK 0.425197 0.804598
391 CA6 0.425197 0.729167
392 MCD 0.425197 0.804598
393 SOP 0.425197 0.804598
394 COK 0.425197 0.804598
395 YZS 0.425197 0.729167
396 G1R 0.424242 0.907895
397 CC5 0.423077 0.816901
398 SXZ 0.423077 0.710843
399 F2N 0.422535 0.813953
400 EO7 0.422222 0.788235
401 ANZ 0.422018 0.8
402 CMC 0.421875 0.804598
403 1VU 0.421875 0.795455
404 CO6 0.421875 0.804598
405 ZDA 0.421053 0.864865
406 GDD 0.420561 0.884615
407 GKE 0.420561 0.884615
408 GDC 0.420561 0.884615
409 NFD 0.420168 0.883117
410 D3Y 0.42 0.789474
411 GSP 0.42 0.873418
412 MC4 0.419847 0.76087
413 3D1 0.419753 0.773333
414 3L1 0.419753 0.773333
415 FA9 0.41958 0.864198
416 5GP 0.419355 0.906667
417 G 0.419355 0.906667
418 KB1 0.419048 0.698795
419 SCD 0.418605 0.823529
420 CAJ 0.418605 0.804598
421 2BA 0.417582 0.915493
422 CMP 0.417582 0.901408
423 KFV 0.416667 0.736842
424 VRT 0.416667 0.769231
425 SO8 0.416667 0.789474
426 N01 0.416667 0.905405
427 IVC 0.415385 0.813953
428 A1S 0.415385 0.804598
429 1HE 0.415385 0.786517
430 BCO 0.415385 0.804598
431 MLC 0.415385 0.804598
432 3HC 0.415385 0.813953
433 NMN AMP PO4 0.415254 0.87013
434 2FA 0.414634 0.813333
435 MGO 0.414141 0.860759
436 3NZ 0.413462 0.782051
437 LCV 0.412214 0.721649
438 MCA 0.412214 0.795455
439 SO5 0.412214 0.721649
440 CAA 0.412214 0.813953
441 YE1 0.412214 0.813953
442 COO 0.412214 0.804598
443 GAV 0.411765 0.884615
444 PRT 0.411215 0.931507
445 JLN 0.411111 0.890411
446 P2P 0.411111 0.902778
447 OZP 0.410714 0.728395
448 ZZB 0.410256 0.77381
449 YXR 0.409091 0.729167
450 RP1 0.409091 0.842105
451 SCA 0.409091 0.804598
452 YXS 0.409091 0.729167
453 103 0.409091 0.837838
454 SP1 0.409091 0.842105
455 2CP 0.409091 0.795455
456 PAX 0.408 0.829268
457 FAD NBT 0.407143 0.75
458 2KQ 0.406015 0.786517
459 HGG 0.406015 0.804598
460 CA8 0.406015 0.729167
461 IRC 0.406015 0.813953
462 COF 0.406015 0.786517
463 1GZ 0.406015 0.795455
464 COW 0.406015 0.795455
465 3CP 0.406015 0.804598
466 BYC 0.406015 0.804598
467 G2P 0.405941 0.884615
468 U A C C 0.404959 0.858974
469 SLU 0.404959 0.770115
470 RBZ 0.404494 0.849315
471 1CZ 0.404412 0.795455
472 COA FLC 0.403226 0.790698
473 BCA 0.402985 0.795455
474 FAQ 0.402985 0.804598
475 4CA 0.402985 0.795455
476 MTP 0.402439 0.730769
477 8OD 0.402062 0.945205
478 HZ2 0.401786 0.731707
479 CO7 0.401515 0.804598
480 GMV 0.4 0.896104
481 HXC 0.4 0.786517
482 G2R 0.4 0.884615
483 HF7 0.4 0.893333
484 ENQ 0.4 0.916667
485 GRA 0.4 0.804598
486 CNV FAD 0.4 0.8
Ligand no: 2; Ligand: AMP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 45A 0.833333 0.943662
4 ABM 0.833333 0.943662
5 A2D 0.833333 0.943662
6 ADP 0.823529 0.971429
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 A12 0.808824 0.931507
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 HEJ 0.788732 0.971429
14 ATP 0.788732 0.971429
15 AT4 0.785714 0.931507
16 AN2 0.785714 0.957747
17 APC 0.777778 0.931507
18 AQP 0.777778 0.971429
19 5FA 0.777778 0.971429
20 AU1 0.774648 0.944444
21 CA0 0.774648 0.917808
22 M33 0.774648 0.930556
23 ADX 0.774648 0.848101
24 50T 0.763889 0.957747
25 KG4 0.763889 0.917808
26 ACP 0.763889 0.944444
27 ADP MG 0.760563 0.942857
28 25A 0.75641 0.971429
29 APR 0.753425 0.943662
30 AR6 0.753425 0.943662
31 PRX 0.753425 0.917808
32 ACQ 0.746667 0.944444
33 TAT 0.746667 0.931507
34 T99 0.746667 0.931507
35 ADV 0.743243 0.905405
36 SAP 0.743243 0.918919
37 AGS 0.743243 0.918919
38 AD9 0.743243 0.944444
39 RBY 0.743243 0.905405
40 ANP 0.723684 0.944444
41 ATP MG 0.72 0.942857
42 APC MG 0.72 0.916667
43 ADP PO3 0.72 0.942857
44 6YZ 0.717949 0.944444
45 8LE 0.714286 0.893333
46 5AL 0.714286 0.930556
47 SON 0.712329 0.931507
48 LMS 0.710145 0.825
49 RAB 0.709677 0.842857
50 ADN 0.709677 0.842857
51 XYA 0.709677 0.842857
52 HQG 0.708861 0.957747
53 ATF 0.705128 0.931507
54 GAP 0.701299 0.891892
55 A22 0.7 0.957747
56 SRP 0.696203 0.905405
57 8LH 0.696203 0.905405
58 7D5 0.691176 0.902778
59 A3P 0.684932 0.971014
60 A2P 0.684932 0.956522
61 ALF ADP 0.683544 0.868421
62 ADP ALF 0.683544 0.868421
63 ADQ 0.682927 0.917808
64 8LQ 0.679012 0.905405
65 MAP 0.679012 0.918919
66 VO4 ADP 0.675 0.930556
67 ADP VO4 0.675 0.930556
68 8QN 0.670732 0.930556
69 5SV 0.670732 0.87013
70 OOB 0.670732 0.930556
71 9ZD 0.670732 0.906667
72 9ZA 0.670732 0.906667
73 OZV 0.670732 0.943662
74 PTJ 0.670588 0.894737
75 AOC 0.666667 0.84507
76 AMO 0.662651 0.905405
77 4AD 0.662651 0.893333
78 A3R 0.662651 0.881579
79 A1R 0.662651 0.881579
80 PAJ 0.662651 0.858974
81 5N5 0.661538 0.816901
82 DAL AMP 0.658537 0.90411
83 IMO 0.657534 0.928571
84 DLL 0.654762 0.930556
85 AHX 0.654762 0.87013
86 00A 0.654762 0.881579
87 5AS 0.653333 0.776471
88 5CD 0.651515 0.828571
89 A4D 0.651515 0.816901
90 6MZ 0.648649 0.957143
91 9X8 0.647059 0.893333
92 3UK 0.647059 0.917808
93 OAD 0.647059 0.917808
94 ADP BMA 0.647059 0.891892
95 25L 0.643678 0.957747
96 B5V 0.639535 0.905405
97 WAQ 0.639535 0.881579
98 LAD 0.639535 0.858974
99 PR8 0.639535 0.848101
100 DTA 0.637681 0.808219
101 V3L 0.6375 0.971429
102 3DH 0.633803 0.794521
103 1ZZ 0.632184 0.8375
104 NB8 0.632184 0.87013
105 TXA 0.632184 0.905405
106 FYA 0.632184 0.930556
107 BIS 0.632184 0.906667
108 ME8 0.632184 0.8375
109 3OD 0.632184 0.917808
110 MTA 0.628571 0.794521
111 3AM 0.625 0.956522
112 EP4 0.623188 0.773333
113 A A 0.62069 0.971429
114 9SN 0.617977 0.87013
115 M2T 0.614286 0.753247
116 JB6 0.613636 0.881579
117 FA5 0.611111 0.905405
118 B5Y 0.611111 0.893333
119 YAP 0.611111 0.893333
120 B5M 0.611111 0.893333
121 H1Q 0.607595 0.929577
122 MYR AMP 0.606742 0.814815
123 G5A 0.604938 0.776471
124 XAH 0.604396 0.8375
125 4UV 0.597826 0.893333
126 71V 0.597403 0.906667
127 ATP A 0.593407 0.929577
128 ATP A A A 0.593407 0.929577
129 PAP 0.592593 0.957143
130 G3A 0.591398 0.894737
131 2AM 0.589041 0.942857
132 5X8 0.5875 0.783784
133 6RE 0.586667 0.779221
134 6C6 0.585366 0.905405
135 G5P 0.585106 0.894737
136 4UU 0.585106 0.893333
137 GA7 0.585106 0.905405
138 AFH 0.585106 0.858974
139 7D3 0.584416 0.878378
140 A5A 0.583333 0.804878
141 TSB 0.581395 0.795181
142 TYR AMP 0.580645 0.868421
143 AMP DBH 0.580645 0.891892
144 2A5 0.580247 0.891892
145 GTA 0.578947 0.860759
146 TAD 0.578947 0.858974
147 DQV 0.578947 0.930556
148 DSH 0.578947 0.74359
149 6IA 0.578313 0.858974
150 SSA 0.576471 0.776471
151 C2R 0.575342 0.876712
152 AMZ 0.575342 0.888889
153 7D4 0.575 0.878378
154 PGS 0.575 0.857143
155 ZAS 0.573333 0.786667
156 ATR 0.573171 0.942857
157 LAQ 0.572917 0.8375
158 J7C 0.571429 0.789474
159 AIR 0.571429 0.927536
160 A3N 0.571429 0.783784
161 AAM 0.571429 1
162 PPS 0.571429 0.848101
163 54H 0.569767 0.785714
164 52H 0.569767 0.776471
165 VMS 0.569767 0.785714
166 AR6 AR6 0.568421 0.916667
167 7MD 0.568421 0.8375
168 ARG AMP 0.568421 0.82716
169 48N 0.56701 0.87013
170 YLP 0.56701 0.817073
171 OVE 0.565789 0.90411
172 UPA 0.565657 0.881579
173 2SA 0.564706 0.905405
174 S4M 0.564103 0.682353
175 8X1 0.563218 0.75
176 5CA 0.563218 0.776471
177 53H 0.563218 0.776471
178 TXD 0.561224 0.881579
179 DND 0.561224 0.905405
180 NAI 0.561224 0.881579
181 UP5 0.561224 0.893333
182 NXX 0.561224 0.905405
183 NAX 0.561224 0.848101
184 4UW 0.561224 0.858974
185 6V0 0.561224 0.87013
186 NIA 0.56 0.820513
187 DA 0.558442 0.902778
188 D5M 0.558442 0.902778
189 MAO 0.556962 0.777778
190 AHZ 0.556701 0.814815
191 TXE 0.555556 0.881579
192 OMR 0.555556 0.82716
193 TYM 0.555556 0.905405
194 ITT 0.555556 0.915493
195 5AD 0.552239 0.768116
196 A2R 0.551724 0.957747
197 LPA AMP 0.55102 0.814815
198 NSS 0.550562 0.776471
199 DSZ 0.550562 0.776471
200 LSS 0.550562 0.758621
201 YLB 0.55 0.817073
202 YLC 0.55 0.8375
203 4TC 0.55 0.87013
204 AP0 0.55 0.87013
205 P5A 0.549451 0.741573
206 J4G 0.549451 0.918919
207 139 0.54902 0.848101
208 A4P 0.544554 0.819277
209 NVA LMS 0.544444 0.75
210 GJV 0.544304 0.769231
211 7D7 0.544118 0.763889
212 9K8 0.543478 0.711111
213 A7D 0.54321 0.797297
214 AF3 ADP 3PG 0.54 0.835443
215 6K6 0.539326 0.957143
216 IOT 0.539216 0.829268
217 LEU LMS 0.538462 0.75
218 A3G 0.538462 0.797297
219 A5D 0.535714 0.808219
220 7MC 0.534653 0.817073
221 YLA 0.533981 0.817073
222 T5A 0.533981 0.817073
223 ADJ 0.533981 0.82716
224 KAA 0.532609 0.75
225 GSU 0.532609 0.776471
226 7RA 0.531646 0.985507
227 SFG 0.53012 0.77027
228 HFD 0.529412 0.918919
229 JSQ 0.529412 0.918919
230 SAH 0.529412 0.763158
231 AYB 0.528846 0.807229
232 CNA 0.528846 0.905405
233 N6P 0.527473 0.942029
234 8BR 0.525 0.931507
235 F2R 0.52381 0.839506
236 80F 0.523364 0.817073
237 Y3J 0.521127 0.746479
238 YSA 0.520833 0.776471
239 7RP 0.518987 0.955882
240 NAD 0.518868 0.930556
241 G A A A 0.518868 0.87013
242 COD 0.518868 0.788235
243 BTX 0.518868 0.839506
244 MHZ 0.518072 0.714286
245 SA8 0.517647 0.725
246 6AD 0.517241 0.883117
247 BT5 0.514019 0.829268
248 DZD 0.514019 0.858974
249 RMB 0.5125 0.898551
250 SAI 0.511628 0.753247
251 AV2 0.511364 0.890411
252 8PZ 0.510417 0.776471
253 A3D 0.509259 0.917808
254 A3S 0.506024 0.808219
255 3AT 0.505747 0.943662
256 SAM 0.505747 0.707317
257 SMM 0.505618 0.702381
258 NA7 0.505376 0.931507
259 B1U 0.505155 0.733333
260 AMP NAD 0.504673 0.90411
261 4TA 0.504673 0.804878
262 NO7 0.5 0.905405
263 G 0.5 0.905405
264 5GP 0.5 0.905405
265 NEC 0.5 0.743243
266 EEM 0.5 0.707317
267 AAT 0.5 0.725
268 M24 0.495495 0.848101
269 YLY 0.495495 0.807229
270 7C5 0.494949 0.815789
271 DAT 0.494118 0.878378
272 A3T 0.494118 0.819444
273 FAI 0.493827 0.888889
274 P2P 0.493827 0.928571
275 1RB 0.493671 0.911765
276 NAE 0.491071 0.893333
277 NAJ PZO 0.490909 0.846154
278 U A 0.490909 0.906667
279 A G 0.490741 0.881579
280 KOY 0.490196 0.8
281 LQJ 0.489796 0.916667
282 TM1 0.489583 0.771084
283 A A A 0.489362 0.90411
284 A6D 0.489362 0.740741
285 PO4 PO4 A A A A PO4 0.489362 0.901408
286 S7M 0.488889 0.707317
287 DTP 0.488636 0.878378
288 RBZ 0.4875 0.873239
289 101 0.4875 0.902778
290 EAD 0.486957 0.848101
291 NAQ 0.486726 0.87013
292 U A G G 0.486239 0.881579
293 4YB 0.485149 0.758621
294 NDE 0.483051 0.931507
295 ZID 0.482456 0.917808
296 N0B 0.482456 0.817073
297 N5O 0.481481 0.76
298 WSA 0.480769 0.785714
299 RGT 0.479592 0.931507
300 ARU 0.478723 0.835443
301 GGZ 0.478261 0.8
302 JLN 0.47561 0.863014
303 ANZ 0.475248 0.820513
304 ACK 0.475 0.885714
305 QQY 0.475 0.837838
306 NAJ PYZ 0.473684 0.804878
307 GEK 0.473118 0.734177
308 AVV 0.473118 0.87013
309 S8M 0.473118 0.779221
310 3AD 0.472973 0.828571
311 A U 0.471698 0.868421
312 P1H 0.470588 0.82716
313 N5A 0.46988 0.733333
314 0UM 0.468085 0.716049
315 RVP 0.467532 0.847222
316 649 0.466667 0.741573
317 Z5A 0.465517 0.776471
318 PMO 0.464286 0.873239
319 SXZ 0.463918 0.707317
320 62X 0.463158 0.682353
321 QQX 0.4625 0.826667
322 8Q2 0.462264 0.75
323 2VA 0.45977 0.797297
324 IMP 0.458824 0.90411
325 CC5 0.458333 0.84058
326 K15 0.458333 0.698795
327 AS 0.457831 0.855263
328 DDS 0.455556 0.851351
329 V1N 0.455446 0.943662
330 NJP 0.454545 0.918919
331 7DD 0.453488 0.957143
332 G7M 0.453488 0.87013
333 93A 0.453488 0.804878
334 3D1 0.453333 0.77027
335 3L1 0.453333 0.77027
336 EO7 0.452381 0.785714
337 NDC 0.45082 0.87013
338 FB0 0.45082 0.781609
339 0WD 0.45045 0.894737
340 NVA 2AD 0.449438 0.75641
341 2FA 0.447368 0.810811
342 26A 0.447368 0.76
343 CMP 0.447059 0.927536
344 2BA 0.447059 0.914286
345 D3Y 0.446809 0.786667
346 VRT 0.444444 0.766234
347 APU 0.444444 0.893333
348 KB1 0.444444 0.716049
349 SO8 0.444444 0.786667
350 FDA 0.443548 0.809524
351 PUA 0.443478 0.858974
352 ODP 0.441441 0.883117
353 6FA 0.44 0.817073
354 103 0.439024 0.861111
355 RP1 0.439024 0.864865
356 SP1 0.439024 0.864865
357 3NZ 0.438776 0.779221
358 A C A C 0.438596 0.846154
359 7DT 0.438202 0.957143
360 NDP 0.436364 0.894737
361 NPW 0.436364 0.860759
362 MTP 0.434211 0.727273
363 FAD 0.433071 0.82716
364 SFD 0.433071 0.712766
365 FAS 0.433071 0.82716
366 ZZB 0.432432 0.792683
367 NZQ 0.432432 0.883117
368 IRN 0.432432 0.867647
369 TXP 0.432432 0.894737
370 62F 0.430769 0.8375
371 FNK 0.430769 0.781609
372 128 0.429907 0.752941
373 PAX 0.428571 0.82716
374 6MD 0.428571 0.805556
375 1DA 0.428571 0.842857
376 9BG 0.428571 0.87013
377 SLU 0.426087 0.767442
378 XNP 0.424779 0.848101
379 HZ2 0.424528 0.728395
380 12D 0.424528 0.761905
381 5F1 0.423077 0.72973
382 ETB 0.422414 0.809524
383 DCA 0.422414 0.8
384 F0P 0.422018 0.725
385 ERJ 0.421687 0.777778
386 GUO 0.421053 0.864865
387 WMP 0.421053 0.864865
388 OZP 0.420561 0.725
389 FAY 0.416667 0.8375
390 HY8 0.416667 0.728395
391 38Y 0.415929 0.804878
392 5J9 0.415842 0.728395
393 0T1 0.415254 0.8
394 COA 0.415254 0.8
395 KH3 0.415094 0.690476
396 N01 0.413793 0.90411
397 FMP 0.413793 0.871429
398 U A C C 0.413793 0.857143
399 RFL 0.413534 0.797619
400 NMN AMP PO4 0.412281 0.868421
401 GP2 0.408602 0.858974
402 GDP 0.408602 0.893333
403 NAP 0.408333 0.944444
404 NOC 0.407895 0.760563
405 2ER 0.405941 0.831169
406 1PR 0.405941 0.820513
407 P5F 0.405797 0.8
408 30N 0.404959 0.731183
409 CAO 0.404959 0.772727
410 COS 0.404959 0.781609
411 AMX 0.404959 0.809524
412 TAP 0.404959 0.906667
413 XMP 0.402299 0.891892
414 G2P 0.402062 0.858974
415 APC G U 0.401709 0.833333
416 CMX 0.401639 0.8
417 SCO 0.401639 0.8
418 U A A U 0.401639 0.906667
419 NA0 0.401639 0.931507
420 9JJ 0.40146 0.8375
421 F2N 0.4 0.790698
422 N37 0.4 0.730769
Ligand no: 3; Ligand: RIB; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 RIB 1 1
2 32O 1 1
3 BDR 1 1
4 FUB 1 1
5 Z6J 1 1
6 AHR 1 1
7 GIV 0.653846 0.866667
8 GLC 0.653846 0.866667
9 BGC 0.653846 0.866667
10 GLA 0.653846 0.866667
11 GXL 0.653846 0.866667
12 MAN 0.653846 0.866667
13 GAL 0.653846 0.866667
14 WOO 0.653846 0.866667
15 ALL 0.653846 0.866667
16 BMA 0.653846 0.866667
17 AHR AHR 0.486486 0.875
18 FUB AHR 0.486486 0.875
19 2H5 0.483871 0.764706
20 PA1 0.483871 0.684211
21 GCS 0.483871 0.684211
22 G2F 0.483871 0.764706
23 GAF 0.483871 0.764706
24 1GN 0.483871 0.684211
25 95Z 0.483871 0.684211
26 SHG 0.483871 0.764706
27 G3F 0.483871 0.764706
28 2FG 0.483871 0.764706
29 X6X 0.483871 0.684211
30 3MG 0.46875 0.764706
31 SR1 0.466667 0.764706
32 2GS 0.454545 0.764706
33 FUB AHR AHR 0.45 0.875
34 AHR AHR AHR AHR AHR AHR 0.45 0.875
35 ABF 0.441176 0.675
36 RP5 0.441176 0.675
37 HSX 0.441176 0.675
38 LBT 0.439024 0.742857
39 B2G 0.439024 0.742857
40 BGC GAL 0.439024 0.742857
41 BMA GAL 0.439024 0.742857
42 GAL BGC 0.439024 0.742857
43 LAT 0.439024 0.742857
44 MAB 0.439024 0.742857
45 CBK 0.439024 0.742857
46 CBI 0.439024 0.742857
47 GLC GAL 0.439024 0.742857
48 BGC BMA 0.439024 0.742857
49 MAL 0.439024 0.742857
50 N9S 0.439024 0.742857
51 BMA BMA 0.439024 0.742857
52 TRE 0.424242 0.742857
53 YIO 0.419355 0.757576
54 GLF 0.40625 0.735294
55 BNX 0.405405 0.619048
56 ALX 0.405405 0.619048
57 M3M 0.404762 0.742857
58 GLC GLC 0.404762 0.742857
59 LB2 0.404762 0.742857
60 NGR 0.404762 0.742857
61 MAN GLC 0.404762 0.742857
62 GLA GAL 0.404762 0.742857
63 GLC BGC 0.404762 0.742857
64 GLA GLA 0.404762 0.742857
65 MTT 0.4 0.742857
66 MAN BMA BMA BMA BMA 0.4 0.742857
67 BGC BGC BGC BGC 0.4 0.742857
68 BMA BMA BMA BMA BMA 0.4 0.742857
69 CEX 0.4 0.742857
70 MAN BMA BMA BMA BMA BMA 0.4 0.742857
71 B4G 0.4 0.742857
72 GLA GAL GLC 0.4 0.742857
73 BGC BGC BGC 0.4 0.742857
74 BGC GLC GLC GLC GLC 0.4 0.742857
75 BGC GLC GLC 0.4 0.742857
76 GLC GLC GLC GLC GLC 0.4 0.742857
77 DXI 0.4 0.742857
78 GLC BGC GLC 0.4 0.742857
79 BMA BMA BMA 0.4 0.742857
80 BMA BMA BMA BMA BMA BMA 0.4 0.742857
81 CTR 0.4 0.742857
82 GLC GAL GAL 0.4 0.742857
83 GAL GAL GAL 0.4 0.742857
84 MAN MAN BMA BMA BMA BMA 0.4 0.742857
85 CTT 0.4 0.742857
86 CT3 0.4 0.742857
87 BGC BGC BGC GLC 0.4 0.742857
88 GLA GAL BGC 0.4 0.742857
89 GLC BGC BGC BGC BGC 0.4 0.742857
90 ASO 0.4 0.757576
91 BMA MAN BMA 0.4 0.742857
92 CE8 0.4 0.742857
93 MLR 0.4 0.742857
94 CE6 0.4 0.742857
95 BGC BGC GLC 0.4 0.742857
96 BGC GLC GLC GLC 0.4 0.742857
97 MAN BMA BMA 0.4 0.742857
98 GLC BGC BGC BGC 0.4 0.742857
99 BGC GLC GLC GLC GLC GLC GLC 0.4 0.742857
100 MT7 0.4 0.742857
101 CE5 0.4 0.742857
102 CEY 0.4 0.742857
103 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.742857
104 GLC BGC BGC 0.4 0.742857
105 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.742857
106 GLC BGC BGC BGC BGC BGC 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5BU2; Ligand: RIB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5bu2.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5BU2; Ligand: AMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5bu2.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5BU2; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5bu2.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5BU2; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5bu2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5BU2; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5bu2.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5BU2; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5bu2.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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